Geometry & MOs

Info

ID:	203049
PubChem CID:	79769657
Reduced:	FIN2O2C13H14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	248.071641
ΔH_f, kcal/mol:	-102.69
Dipole, Da:	2.09
IP(EA), eV:	-9.07(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-phenoxyethyl)pyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)N1C(=O)CC(C1=O)NC2=C(C=C(C=C2)F)I

DOS

IR

Vibrations